6U15
Human thymine DNA glycosylase N140A mutant bound to DNA with 2'-F-5-carboxyl-dC substrate analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-10 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 93.220, 53.530, 82.500 |
| Unit cell angles | 90.00, 95.37, 90.00 |
Refinement procedure
| Resolution | 42.130 - 2.400 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6u16 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.370 | 46.370 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
| Rmerge | 0.362 | 0.092 | 9.194 |
| Rmeas | 0.399 | 0.100 | 10.133 |
| Rpim | 0.162 | 0.039 | 4.164 |
| Total number of observations | 88089 | 2012 | 9508 |
| Number of reflections | 15215 | 323 | 1647 |
| <I/σ(I)> | 4 | 12.6 | 0.5 |
| Completeness [%] | 95.0 | 98.8 | 97.3 |
| Redundancy | 5.8 | 6.2 | 5.8 |
| CC(1/2) | 0.975 | 0.990 | 0.214 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | PEG 3350, Ammonium Acetate, Sodium Acetate |
